1889-0659 Screening compound: 4-bromophenyl (E)-3-(4-chlorophenyl)-2-propenoate

1889-0659 Screening compound: 4-bromophenyl (E)-3-(4-chlorophenyl)-2-propenoate
1889-0659 Screening compound: 4-bromophenyl (E)-3-(4-chlorophenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0659
4-bromophenyl (E)-3-(4-chlorophenyl)-2-propenoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1889-0659

Molecular Formula

C15H10BrClO2 (C15 H10 BrClO2)

Compound Name

4-bromophenyl (E)-3-(4-chlorophenyl)-2-propenoate

IUPAC name

4-bromophenyl (2E)-3-(4-chlorophenyl)prop-2-enoate

SMILES

O=C(/C=C/c(cc1)ccc1Cl)Oc(cc1)ccc1Br

InChI

InChI=1S/C15H10BrClO2/c16-12-4-8-14(9-5-12)19-15(18)10-3-11-1-6-13(17)7-2-11/h1-10H

InChI Key

DTAOCIFWZRCFSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00791391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.327

Water Solubility, LogSw

-6.32

Polar Surface Area

20.021

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1889-0659 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1889-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-0659?
Check Price and Availability of 1889-0659, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1889-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0659
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1889-0659 available by request